Geometry & MOs

Info

ID:	160799
PubChem CID:	57389807
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	371.060759
ΔH_f, kcal/mol:	62.55
Dipole, Da:	1.85
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloroanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1(CC1)C(=O)N2CCC3=NC(=NC=C3C2)NC4=CC=CC(=C4)C#N

DOS

IR

Vibrations